propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

C14H17NO4 — CID 81108594

IUPACpropan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO4/c1-9(2)19-14(18)8-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWNKIPAKQXGDEQU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.32
Rot. Bonds3

About propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (PubChem CID 81108594) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
PubChem CID81108594
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namepropan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO4/c1-9(2)19-14(18)8-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWNKIPAKQXGDEQU-UHFFFAOYSA-N
XLogP1.32
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (CID 81108594) is propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is CC(C)OC(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The InChIKey is WNKIPAKQXGDEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)19-14(18)8-15-11-4-3-5-12(16)10(11)6-7-13(15)17/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate has a molecular weight of 263.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is sourced from PubChem (CID 81108594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).